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Sugi Predict / Compounds / SCHEMBL7535514

SCHEMBL7535514

SCHEMBL7535514

COCCN(CCOC)c1ncc(Cc2cnc(SCc3ccc(F)cc3)[nH]c2=O)cn1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 15/20 0.63
▸ MAOB P27338 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GFER P55789 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4418872 0.85 PLA2G7 (0.72) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4423080 0.83 PLA2G7 (0.72) PLA2G7MAOBMAPT
SCHEMBL7585604 0.82 PLA2G7 (0.78) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4425973 0.78 PLA2G7 (0.59) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4418525 0.78 PLA2G7 (1.00) PLA2G7MAOBMAPT
SCHEMBL4419405 0.77 PLA2G7 (0.73) PLA2G7MAOBMAPT
SCHEMBL4423257 0.77 PLA2G7 (0.76) PLA2G7MAOB
SCHEMBL3545058 0.76 PLA2G7 (0.71) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4415191 0.76 PLA2G7 (0.74) PLA2G7MAOBMAPTLMNAHPGD
SCHEMBL7582759 0.76 PLA2G7 (0.71) PLA2G7MAOBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 — — EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 — — WO disclosed